Table 2 Data collection and refinement statistics

 Hits

98,895

35,065

88,413

158,620

39,140

 Indexed images

73,170

24,397

79,328

134,583

32,201

 Resolution (Å)

2.45

2.75

2.15

2.20

2.30

 Space group

P2₁

P2₁

P2₁

P2₁

P2₁

 Unit cell (Å,^o)

 (a, b, c, and β)

79.0 97.2

110.6 108.7

78.7 96.8

112.6 109.7

79.2 96.5

113.7 109.9

78.8 96.3

113.5 110.0

78.2 95.6

112.3109.9

 Volume (ų)

804,442

807,597

817,098

809,346

789,415

 BlaC/unit cell

8

8

8

8

8

 Completeness

100(100)

100(100)

100(100)

100(100)

100(100)

 Multiplicity

1221 (103.3)

526 (142.0)

895 (58.8)

1363 (81.3)

330 (59.0)

 SNR

8.9(2.4)

6.4(0.9)

7.1(1.0)

8.3(0.9)

5.4(1.1)

 R_split (%)

9.8(209.4)

14.2(121.1)

11.18(111.0)

9.7(126.3)

11.9(104.1)

 CC-half (%)

99.4(41.1)

98.6(34.5)

99.4(37.5)

99.6(31.0)

96.8(35.4)

 R_cryst/R_free (%)

19.2/24.4

19.3/25.0

20.9/23.9

21.9/25.0

23.5/26.6

 ^*BCEF/E-CFO*^a

0/0

91 (23^b)

57/32

40/36^c

58/25

 ^*DCEF/E-CFO*^a

0/0

89 (24^b)

54/40

38/44

51/31

 Stacking

no

yes

yes

yes

yes

 H₂O

315

143

499

431

399

 Average B value (Ų)

48.2

51.7

42.3

37.3

36.2

 Protein amino acid residues in asym. unit

265 × 4

265 × 4

265 × 4

265 × 4

265 × 4

 Ligands

0

2 + 2 (stacking)

2 + 2 (stacking)

2 + 2 (stacking)

2 + 2 (stacking)

 RMSD bond lengths (Å)

0.008

0.010

0.008

0.008

0.008

 RMSD bond angles (degrees)

1.10

1.72

1.66

1.67

1.74

 PO₄

4

2

2

2

2

 Hits

171,314

64,507

115,223

141,935

36,606

 Indexed images

111,466

34,590

87,580

87,058

23,278

 Resolution (Å)

1.8

1.9

1.8

1.9

2.05

 Space group

P2₁

P2₁

P2₁

P2₁

P2₁

 Unit cell (Å,^o)

 (a, b, c, and β)

39.6 41.6

69.3 104.8

39.5 41.6

69.3 104.8

39.6 41.6

69.3 104.9

39.6 41.7

69.5 104.9

39.6 41.7

69.5 104.9

 Volume (ų)

110,375

110,096

110,323

110,908

110,908

 Completeness (%)

100(100)

100(100)

100(100)

100(100)

100(100)

 Multiplicity

985 (54.5)

330 (26.8)

831 (89.0)

806 (36.5)

238 (27.3)

 Signal-to-noise ratio

9.6(1.2)

5.8(0.8)

9.6(1.6)

8.6(0.9)

5.1(1.1)

 R_split (%)

6.6(97.0)

12.2(136.3)

6.6(72.5)

8.8(129.1)

14.0(105.9)

 CC* (%)

99.9(75.0)

99.9(76.1)

99.9(84.3)

99.9(68.1)

99.8(74.8)

 CC-half (%)

99.7(39.1)

99.4(40.4)

99.7(55.1)

99.7(30.2)

99.13(38.8)

 R_cryst/R_free (%)

21.5/24.5

20.7/26.2

23.0/26.7

21.7/26.4

20.0/25.0

 N^d

na

9

9

6

5

 CEF/E-CFO*^a

0/0

59/0

51/35

43/53

71/0

 Stacking

no

no

no

no

no

 H₂O

167

203

154

104

175

 Average B value (Ų)

34.7

16.9

10.5

15.7

18.3

 Protein amino acid residues in asym. unit

265

265

265

265

265

 Ligands

0

1

1

1

1

 RMSD bond lengths (Å)

0.008

0.007

0.007

0.003

0.008

 RMSD bond angles (degrees)

1.06

1.57

1.74

1.49

1.57